SCHEMBL27896953

SCHEMBL27896953

NC(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.76
HRH2 P25021 1/20 0.63
HRH1 P35367 1/20 0.63
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
HTR2A P28223 1/20 0.60
SCN1A P35498 1/20 0.60
HTR2B P41595 1/20 0.60
KCNH2 Q12809 1/20 0.60
SCN2A Q99250 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
SCN3A Q9NY46 1/20 0.60
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29973108 0.96 HRH3 (0.69) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL3007594 0.89 GAA (0.71) HRH3ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14714478 0.88 HRH3 (0.77) HRH3HRH2HRH1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL14742324 0.88 GAA (0.70) HRH3ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL14724505 0.85 HRH3 (0.72) HRH3HRH2HRH1MAPK1ALDH1A1
SCHEMBL1242965 0.84 HRH3 (0.70) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL10626 0.83 HRH3 (0.63) HRH3HRH2HRH1MAPK1ALDH1A1
SCHEMBL9530115 0.83 ALDH1A1 (0.81) HRH3HRH2HRH1MAPK1ALDH1A1
SCHEMBL1244065 0.83 HRH3 (0.69) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL2002718 0.82 HRH3 (0.72) HRH3ALDH1A1KCNH2SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003233-A Novel hydroxamic acid derivative TAISHO PHARMACEUTICAL CO LTD 2013-03-27 CN disclosed